Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20293
- Core Entity Id
- 25737
- Source Entity Count
- 1
- Preferred Name
- Glaucocalyxin e
- Name En
- Pubchem Id
- 44196906
- Smiles Canonical
- CC1C2CCC3C4(CCC(=O)C(C4CC(C3(C2O)C1=O)O)(C)C)C
- Molecular Formula
- C20H30O4
- Molecular Weight
- 334.4560
- Inchikey
- PJBYEAHTNJECTC-RJOZHKRZSA-N
- Inchi
- InChI=1S/C20H30O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h10-13,15,17,22,24H,5-9H2,1-4H3/t10?,11-,12-,13+,15+,17+,19-,20?/m0/s1
- Isomeric Smiles
- CC1[C@@H]2CC[C@H]3[C@@]4(CCC(=O)C([C@H]4C[C@H](C3([C@@H]2O)C1=O)O)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.3549
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glaucocalyxin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glaucocalyxin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glaucocalyxin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
兰萼香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LAN E XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bluesepal Rabdosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
兰萼香茶菜LAN E XIANG CHA CAIBluesepal Rabdosia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027882
Tcmid
8518
Pub Chem
44196906
Tcmbank
TCMBANKIN042283
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O4/c1-10-11-5-6-12-19(4)8-7-14(21)18(2,3)13(19)9-15(22)20(12,16(10)23)17(11)24/h10-13,15,17,22,24H,5-9H2,1-4H3/t10?,11-,12-,13+,15+,17+,19-,20?/m0/s1
Mol Wt
334.4560000000001
Mol Log P
2.3549
In Ch Ikey
PJBYEAHTNJECTC-RJOZHKRZSA-N
Tcm Name
兰萼香茶菜
Tcm Name2
LAN E XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/08519.mol2
Reference
4067
Num Hdonors
2
Tcm Name En
Bluesepal Rabdosia*
Drug Likeness
0.713
Num Hacceptors
4
Isomeric Smiles
CC1[C@@H]2CC[C@H]3[C@@]4(CCC(=O)C([C@H]4C[C@H](C3([C@@H]2O)C1=O)O)(C)C)C
Canonical Smiles
CC1C2CCC3C4(CCC(=O)C(C4CC(C3(C2O)C1=O)O)(C)C)C
Molecular Formula
C20H30O4
Num Rotatable Bonds
0